N-(4-methoxyphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide

C16H18N2O5S2 — CID 1079062

IUPACN-(4-methoxyphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cs2)cc1
InChIInChI=1S/C16H18N2O5S2/c1-22-13-4-2-12(3-5-13)17-16(19)15-10-14(11-24-15)25(20,21)18-6-8-23-9-7-18/h2-5,10-11H,6-9H2,1H3,(H,17,19)
InChIKeyQSJKQRNEJNCFGL-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.03
Rot. Bonds5

About N-(4-methoxyphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide

N-(4-methoxyphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide (PubChem CID 1079062) has the molecular formula C16H18N2O5S2 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
PubChem CID1079062
Molecular FormulaC16H18N2O5S2
Molecular Weight382.46 g/mol
Exact Mass382.07
IUPAC NameN-(4-methoxyphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cs2)cc1
InChIInChI=1S/C16H18N2O5S2/c1-22-13-4-2-12(3-5-13)17-16(19)15-10-14(11-24-15)25(20,21)18-6-8-23-9-7-18/h2-5,10-11H,6-9H2,1H3,(H,17,19)
InChIKeyQSJKQRNEJNCFGL-UHFFFAOYSA-N
XLogP2.03
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-Methoxyphenyl)-2-thiophenecarboxamide
CID 573876
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 15945391
Thiophene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 10248783
1-(thiophene-2-sulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 15988672
1-[4-(4-Methoxyphenyl)piperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
CID 2093114
[4-(2-Ethoxy-phenyl)-piperazin-1-yl]-thiophen-2-yl-methanone
CID 896558
3-amino-4-(isopropylsulfonyl)-N-(4-methoxyphenyl)-2-thiophenecarboxamide
CID 2815287
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
CID 4045486
3-[(4-methoxyphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 5177115
N-(5-methoxy-2-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 6471687
4-[(4-Methoxyphenyl)sulfamoyl]thiophene-2-carboxamide
CID 6486042
4-[(4-Ethoxyphenyl)sulfamoyl]thiophene-2-carboxamide
CID 6486051

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide (CID 1079062) is N-(4-methoxyphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide is COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cs2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The InChIKey is QSJKQRNEJNCFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S2/c1-22-13-4-2-12(3-5-13)17-16(19)15-10-14(11-24-15)25(20,21)18-6-8-23-9-7-18/h2-5,10-11H,6-9H2,1H3,(H,17,19).
What are the key properties of N-(4-methoxyphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide?
N-(4-methoxyphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 1079062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).